A note on the magnetic susceptibility of hydrogen and its isotopomers |
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Authors: | W.T. Raynes J.P. Riley A.M. Davies D.B. Cook |
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Affiliation: | Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK |
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Abstract: | A wavefunction used in an earlier calculation of the nuclear shielding of the hydrogen molecule has been tested by comparing the calculated magnetic susceptibility against that of Kolos and Wolniewicz. Good agreement is obtained. The procedure of Herman and Short for averaging over the nuclear motion has also been tested by comparing the predicted susceptibilities of H2, Hd and D2 with those obtained from averages of the Rydberg-Klein-Rees potential curves by Jain and Sahni. Again, good agreement is found.For the first time calculated values have been obtained for the susceptibilities of the isoropomers of hydrogen which contain tritium. It is predicted that accurate susceptibility measurements should not only be able to distinguish between all the various isotopomers but should also detect the temperature dependence of the susceptibility of any one isotopomer. |
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